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Small‐band gap halide double perovskite for optoelectronic properties
Author(s) -
Nabi Muskan,
Gupta Dinesh C.
Publication year - 2021
Publication title -
international journal of energy research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.808
H-Index - 95
eISSN - 1099-114X
pISSN - 0363-907X
DOI - 10.1002/er.6307
Subject(s) - perovskite (structure) , halide , band gap , materials science , optoelectronics , spintronics , photovoltaic system , photovoltaics , nanotechnology , condensed matter physics , ferromagnetism , chemistry , physics , crystallography , inorganic chemistry , ecology , biology
Summary The long‐term instability and the existence of toxic lead have hindered the commercialization of photovoltaic devices. Perovskites offer a multitude of crystallographic configurations and substituents that portend the promise of enhanced device performance, while resolving concerns of stability and toxicity. During past few years, lead free perovskites have emerged the most promising photovoltaic materials. Herein, we reported new lead‐free organic perovskites by first principle calculation with possible application in optoelectronic and spintronic devices. The new halide double perovskites Cs 2 GeVX 6 (X = Cl, Br, I) has a smallest band gap ranging from 2 to 3 eV suitable for optoelectronic application in visible as well as UV region. Band profile reveals semiconducting nature of these materials with high values of magnetic moment. Stability of these alloys is determined by calculating the elastic constants. These materials owe brilliant intrinsic properties because of large number of nearest neighboring magnetic ions and strong coupling between various d , s , p orbitals. Our finding will pave a way for future experimentalists for designing and tuning of new‐type Pb‐free halide perovskite for optoelectronic application.